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22403131
3D
Structure written by MMmdl.
58 60 0 0 1 0 999 V2000
4.0803 -3.1776 -0.5548 Br 0 0 0 0 0 0
5.8685 2.1468 -0.2994 S 0 0 0 0 0 0
1.3645 -1.7582 -0.6942 O 0 0 0 0 0 0
5.4774 3.3839 -0.9925 O 0 0 0 0 0 0
7.1073 1.4533 -0.6854 O 0 0 0 0 0 0
-0.2410 0.4290 -1.4047 N 0 0 0 0 0 0
-2.6843 0.5853 -1.9847 C 0 0 0 0 0 0
-1.4319 1.1233 -1.3615 C 0 0 0 0 0 0
0.7593 1.1032 -0.7356 C 0 0 0 0 0 0
-3.9848 0.4699 0.1171 C 0 0 0 0 0 0
-2.8287 -1.5705 -0.7527 C 0 0 0 0 0 0
2.1136 0.5572 -0.6313 C 0 0 0 0 0 0
-1.1715 2.2822 -0.6820 C 0 0 0 0 0 0
0.2006 2.2715 -0.2924 C 0 0 0 0 0 0
4.5204 0.9805 -0.4556 C 0 0 0 0 0 0
3.1983 1.4565 -0.5323 C 0 0 0 0 0 0
-5.1278 -0.2408 0.8182 C 0 0 0 0 0 0
2.3815 -0.8398 -0.6236 C 0 0 0 0 0 0
-3.7816 -2.7594 -0.9372 C 0 0 0 0 0 0
5.9467 2.5061 1.5080 C 0 0 0 0 0 0
4.7831 -0.4008 -0.4568 C 0 0 0 0 0 0
3.7132 -1.3085 -0.5463 C 0 0 0 0 0 0
-6.4277 -0.1977 0.2707 C 0 0 0 0 0 0
-4.8986 -0.9460 2.0192 C 0 0 0 0 0 0
6.3424 1.2681 2.3218 C 0 0 0 0 0 0
-7.4890 -0.8620 0.9156 C 0 0 0 0 0 0
-5.9607 -1.6101 2.6629 C 0 0 0 0 0 0
-7.2556 -1.5690 2.1109 C 0 0 0 0 0 0
0.8268 -2.1015 0.5737 C 0 0 0 0 0 0
-3.3059 1.4166 -2.3197 H 0 0 0 0 0 0
-2.4411 0.0224 -2.8871 H 0 0 0 0 0 0
-3.1702 0.6494 0.8206 H 0 0 0 0 0 0
-4.3465 1.4524 -0.1901 H 0 0 0 0 0 0
-1.9782 -1.7368 -1.4147 H 0 0 0 0 0 0
-2.4187 -1.5562 0.2581 H 0 0 0 0 0 0
-0.1102 -0.4700 -1.8476 H 0 0 0 0 0 0
-1.8941 3.0589 -0.4788 H 0 0 0 0 0 0
0.7197 3.0391 0.2626 H 0 0 0 0 0 0
3.0181 2.5217 -0.5254 H 0 0 0 0 0 0
-3.2645 -3.6985 -0.7392 H 0 0 0 0 0 0
-4.6363 -2.7126 -0.2639 H 0 0 0 0 0 0
-4.1629 -2.8032 -1.9578 H 0 0 0 0 0 0
6.6773 3.3015 1.6546 H 0 0 0 0 0 0
4.9761 2.8888 1.8235 H 0 0 0 0 0 0
5.7966 -0.7674 -0.3869 H 0 0 0 0 0 0
-6.6153 0.3425 -0.6458 H 0 0 0 0 0 0
-3.9082 -0.9845 2.4489 H 0 0 0 0 0 0
6.4176 1.5107 3.3819 H 0 0 0 0 0 0
5.6064 0.4710 2.2183 H 0 0 0 0 0 0
7.3088 0.8775 2.0022 H 0 0 0 0 0 0
-8.4829 -0.8291 0.4937 H 0 0 0 0 0 0
-5.7824 -2.1513 3.5805 H 0 0 0 0 0 0
-8.0699 -2.0783 2.6051 H 0 0 0 0 0 0
0.0398 -2.8447 0.4467 H 0 0 0 0 0 0
1.5894 -2.5279 1.2268 H 0 0 0 0 0 0
0.3903 -1.2333 1.0692 H 0 0 0 0 0 0
-3.4869 -0.2732 -1.0726 N 0 3 2 0 0 0
-4.3090 -0.5138 -1.6077 H 0 0 0 0 0 0
1 22 1 0 0 0
2 4 2 0 0 0
2 5 2 0 0 0
2 15 1 0 0 0
2 20 1 0 0 0
3 18 1 0 0 0
3 29 1 0 0 0
6 8 1 0 0 0
6 9 1 0 0 0
6 36 1 0 0 0
7 8 1 0 0 0
7 30 1 0 0 0
7 31 1 0 0 0
7 57 1 0 0 0
8 13 2 0 0 0
9 12 1 0 0 0
9 14 2 0 0 0
10 17 1 0 0 0
10 32 1 0 0 0
10 33 1 0 0 0
10 57 1 0 0 0
11 19 1 0 0 0
11 34 1 0 0 0
11 35 1 0 0 0
11 57 1 0 0 0
12 16 1 0 0 0
12 18 2 0 0 0
13 14 1 0 0 0
13 37 1 0 0 0
14 38 1 0 0 0
15 16 2 0 0 0
15 21 1 0 0 0
16 39 1 0 0 0
17 23 2 0 0 0
17 24 1 0 0 0
18 22 1 0 0 0
19 40 1 0 0 0
19 41 1 0 0 0
19 42 1 0 0 0
20 25 1 0 0 0
20 43 1 0 0 0
20 44 1 0 0 0
21 22 2 0 0 0
21 45 1 0 0 0
23 26 1 0 0 0
23 46 1 0 0 0
24 27 2 0 0 0
24 47 1 0 0 0
25 48 1 0 0 0
25 49 1 0 0 0
25 50 1 0 0 0
26 28 2 0 0 0
26 51 1 0 0 0
27 28 1 0 0 0
27 52 1 0 0 0
28 53 1 0 0 0
29 54 1 0 0 0
29 55 1 0 0 0
29 56 1 0 0 0
57 58 1 0 0 0
M CHG 1 57 1
M END
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